N-(3-acetylphenyl)-2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
N-(3-acetylphenyl)-2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4296-0763 |
| Compound Name: | N-(3-acetylphenyl)-2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C27 H25 N3 O3 S |
| Smiles: | CC(c1cccc(c1)NC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccccc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3114 |
| logD: | 1.5731 |
| logSw: | -4.3489 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.374 |
| InChI Key: | MMODFQXCVPYXGX-VWLOTQADSA-N |